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CHEBI:230432 - Iganidipine

Default Structure
ChEBI IDCHEBI:230432
ChEBI NameIganidipine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N4O6
Net Charge0
Average Mass526.634
Monoisotopic Mass526.27913
SMILESC=CCN1CCN(CC(C)(C)COC(=O)C2=C(C)NC(C)=C(C(=O)OC)C2c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C28H38N4O6/c1-7-11-30-12-14-31(15-13-30)17-28(4,5)18-38-27(34)24-20(3)29-19(2)23(26(33)37-6)25(24)21-9-8-10-22(16-21)32(35)36/h7-10,16,25,29H,1,11-15,17-18H2,2-6H3
InChIKeyQBTSPDQKRVMTRU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Iganidipine (CHEBI:230432) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
5-O-[2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Manual XrefsDatabases
59341ChemSpider
HMDB0253387HMDB